Geometry & MOs

Info

ID:	447185
PubChem CID:	135281022
Reduced:	F2N3O5H17C20 (1)
Stoich.:	A2B3C5D17E20 (1)
Weight, g/mol:	397.144927
ΔH_f, kcal/mol:	-177.22
Dipole, Da:	4.5
IP(EA), eV:	-9.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl 2,2-difluoro-2-[[3-(1,3-oxazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy]acetate

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)OC(=O)C(ON3C4CN(C3=O)CC(=C4)C5=NC=CO5)(F)F

DOS

IR

Vibrations